- Added a test based on the KinGUI paper "complex case"

- Fix the DT50 calculation for the SFORB model
- Added a bit more of a description



git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@11 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

1 files changed, 35 insertions, 0 deletions

diff --git a/inst/unitTests/runit.mkinfit.R b/inst/unitTests/runit.mkinfit.R
new file mode 100644
index 0000000..6dbd11f
--- /dev/null
+++ b/inst/unitTests/runit.mkinfit.R
@@ -0,0 +1,35 @@
+test.mkinmod.schaefer07_complex_example <- function()

+{

+  schaefer07_complex_model <- mkinmod(

+    parent = list(type = "SFO", to = c("A1", "B1", "C1"), sink = FALSE),

+    A1 = list(type = "SFO", to = "A2"),

+    B1 = list(type = "SFO"),

+    C1 = list(type = "SFO"),

+    A2 = list(type = "SFO"))

+  

+  fit <- mkinfit(schaefer07_complex_model, 

+    mkin_wide_to_long(schaefer07_complex_case, time = "time"),

+    parms.ini = c(0.1, 0.1, 0.1, 0.01, 0.1, 0.1, 0.1, 0.1))

+  s <- summary(fit)

+  attach(as.list(fit$par))

+  k_parent <- sum(k_parent_A1, k_parent_B1, k_parent_C1)

+  r <- schaefer07_complex_results

+  r$mkin <- c(

+    k_parent,

+    s$distimes["parent", "DT50"],

+    k_parent_A1/k_parent,

+    sum(k_A1_sink, k_A1_A2),

+    s$distimes["A1", "DT50"],

+    k_parent_B1/k_parent,

+    k_B1_sink,

+    s$distimes["B1", "DT50"],

+    k_parent_C1/k_parent,

+    k_C1_sink,

+    s$distimes["C1", "DT50"],

+    k_A1_A2/(k_A1_A2 + k_A1_sink),

+    k_A2_sink,

+    s$distimes["A2", "DT50"])

+  r$means <- (r$KinGUI + r$ModelMaker)/2

+  r$mkin.deviation <- abs(round(100 * ((r$mkin - r$means)/r$means), digits=1))

+  checkTrue(r$mkin.deviation < 10)

+}